N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C18H19F2N5O — CID 139431540

IUPACN-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(F)(F)CC4)c3c2)cn1
InChIInChI=1S/C18H19F2N5O/c1-25-10-12(9-21-25)11-2-3-15-14(8-11)16(24-23-15)17(26)22-13-4-6-18(19,20)7-5-13/h2-3,8-10,13H,4-7H2,1H3,(H,22,26)(H,23,24)
InChIKeyPCISJTPBMYVGRE-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.27
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431540) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431540
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC NameN-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(F)(F)CC4)c3c2)cn1
InChIInChI=1S/C18H19F2N5O/c1-25-10-12(9-21-25)11-2-3-15-14(8-11)16(24-23-15)17(26)22-13-4-6-18(19,20)7-5-13/h2-3,8-10,13H,4-7H2,1H3,(H,22,26)(H,23,24)
InChIKeyPCISJTPBMYVGRE-UHFFFAOYSA-N
XLogP3.27
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431540) is N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(F)(F)CC4)c3c2)cn1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is PCISJTPBMYVGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-25-10-12(9-21-25)11-2-3-15-14(8-11)16(24-23-15)17(26)22-13-4-6-18(19,20)7-5-13/h2-3,8-10,13H,4-7H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).